(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol

C21H24N6O2 — CID 25032350

IUPAC(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCOc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIInChI=1S/C21H24N6O2/c1-14-3-5-19(22-9-14)27-8-7-17-16(11-27)21(25-13-24-17)26-18(12-28)15-4-6-20(29-2)23-10-15/h3-6,9-10,13,18,28H,7-8,11-12H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyCOHPLRFPNJNJIX-GOSISDBHSA-N
MW392.46 g/mol
LogP2.29
Rot. Bonds6

About (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol

(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 25032350) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID25032350
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCOc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIInChI=1S/C21H24N6O2/c1-14-3-5-19(22-9-14)27-8-7-17-16(11-27)21(25-13-24-17)26-18(12-28)15-4-6-20(29-2)23-10-15/h3-6,9-10,13,18,28H,7-8,11-12H2,1-2H3,(H,24,25,26)/t18-/m1/s1
InChIKeyCOHPLRFPNJNJIX-GOSISDBHSA-N
XLogP2.29
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol (CID 25032350) is (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol is COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1.
What is the InChIKey of (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is COHPLRFPNJNJIX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-3-5-19(22-9-14)27-8-7-17-16(11-27)21(25-13-24-17)26-18(12-28)15-4-6-20(29-2)23-10-15/h3-6,9-10,13,18,28H,7-8,11-12H2,1-2H3,(H,24,25,26)/t18-/m1/s1.
What are the key properties of (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol?
(2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 392.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxy-3-pyridinyl)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 25032350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).